Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AC3AZC6BG7
EPA CompTox DTXSID8021563

Structure

InChI Key GRLQBYQELUWBIO-UHFFFAOYSA-N
Smiles Oc1cc(O)c(Cl)cc1Cl
InChI
InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4Cl2O2
Molecular Weight 177.96
AlogP 2.4
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 137-19-9
NORMAN SUSDAT
FDA SRS AC3AZC6BG7
PubChem 67299
ChemSpider 60631.0